5-methyl-6-(methylaminomethyl)-6,8a-dihydroquinazoline-2,4-diamine

C11H17N5 — CID 91375004

IUPAC5-methyl-6-(methylaminomethyl)-6,8a-dihydroquinazoline-2,4-diamine
SMILESCNCC1C=CC2N=C(N)N=C(N)C2=C1C
InChIInChI=1S/C11H17N5/c1-6-7(5-14-2)3-4-8-9(6)10(12)16-11(13)15-8/h3-4,7-8,14H,5H2,1-2H3,(H4,12,13,15,16)
InChIKeyYLPLPAYOAKPJNU-UHFFFAOYSA-N
MW219.29 g/mol
LogP-0.24
Rot. Bonds2

About 5-methyl-6-(methylaminomethyl)-6,8a-dihydroquinazoline-2,4-diamine

5-methyl-6-(methylaminomethyl)-6,8a-dihydroquinazoline-2,4-diamine (PubChem CID 91375004) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-methyl-6-(methylaminomethyl)-6,8a-dihydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name5-methyl-6-(methylaminomethyl)-6,8a-dihydroquinazoline-2,4-diamine
PubChem CID91375004
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name5-methyl-6-(methylaminomethyl)-6,8a-dihydroquinazoline-2,4-diamine
SMILESCNCC1C=CC2N=C(N)N=C(N)C2=C1C
InChIInChI=1S/C11H17N5/c1-6-7(5-14-2)3-4-8-9(6)10(12)16-11(13)15-8/h3-4,7-8,14H,5H2,1-2H3,(H4,12,13,15,16)
InChIKeyYLPLPAYOAKPJNU-UHFFFAOYSA-N
XLogP-0.24
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Tetrahydro-1h-pyrrolo[3,4-c]quinoline-1,3(2h)-diimine
CID 132278747
5-Methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine
CID 21336462
Methane;5-methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine
CID 160132574
6-Prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine
CID 70621009

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(methylaminomethyl)-6,8a-dihydroquinazoline-2,4-diamine?
The IUPAC name of 5-methyl-6-(methylaminomethyl)-6,8a-dihydroquinazoline-2,4-diamine (CID 91375004) is 5-methyl-6-(methylaminomethyl)-6,8a-dihydroquinazoline-2,4-diamine.
What is the SMILES notation for 5-methyl-6-(methylaminomethyl)-6,8a-dihydroquinazoline-2,4-diamine?
The canonical SMILES for 5-methyl-6-(methylaminomethyl)-6,8a-dihydroquinazoline-2,4-diamine is CNCC1C=CC2N=C(N)N=C(N)C2=C1C.
What is the InChIKey of 5-methyl-6-(methylaminomethyl)-6,8a-dihydroquinazoline-2,4-diamine?
The InChIKey is YLPLPAYOAKPJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-6-7(5-14-2)3-4-8-9(6)10(12)16-11(13)15-8/h3-4,7-8,14H,5H2,1-2H3,(H4,12,13,15,16).
What are the key properties of 5-methyl-6-(methylaminomethyl)-6,8a-dihydroquinazoline-2,4-diamine?
5-methyl-6-(methylaminomethyl)-6,8a-dihydroquinazoline-2,4-diamine has a molecular weight of 219.29 g/mol, XLogP of -0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(methylaminomethyl)-6,8a-dihydroquinazoline-2,4-diamine is sourced from PubChem (CID 91375004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).